SCHEMBL20320554

SCHEMBL20320554

Cc1nc(C(C)(C)C)n(-c2cccc(Cl)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
GAA P10253 3/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ALPG P10696 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
KMT2A Q03164 3/20 0.42
MAPK1 P28482 1/20 0.42
MPO P05164 1/20 0.42
MEN1 O00255 1/20 0.40
PRNP P04156 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20320330 0.87 SMN1; SMN2 (0.51) PKMGAALMNAHPGDSMN1; SMN2
SCHEMBL16202022 0.81 GAA (0.48) PKMGAALMNAHPGDSMN1; SMN2
SCHEMBL14276775 0.81 GAA (0.48) PKMGAALMNAHPGDSMN1; SMN2
SCHEMBL20320550 0.81 POLB (0.41) GAALMNASMN1; SMN2MAPTHTT
SCHEMBL18134386 0.80 ATM (0.44) LMNAHPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL20320553 0.79 KMT2A (0.47) GAALMNASMN1; SMN2MAPTALDH1A1
SCHEMBL20320458 0.74 CYP2A6 (0.43) SMN1; SMN2MAPTHTTGRM1
SCHEMBL31522201 0.71 ALDH1A1 (0.58) PKMGAALMNAHPGDSMN1; SMN2
SCHEMBL31522200 0.71 ALDH1A1 (0.58) PKMGAALMNAHPGDSMN1; SMN2
SCHEMBL24287320 0.71 HPGD (0.50) PKMHPGDSMN1; SMN2MAPTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS PKM 1278/4885GAA 985/4885LMNA 3862/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.